N-prop-2-enylpyrazol-1-amine

C6H9N3 — CID 67092018

IUPACN-prop-2-enylpyrazol-1-amine
SMILESC=CCNn1cccn1
InChIInChI=1S/C6H9N3/c1-2-4-7-9-6-3-5-8-9/h2-3,5-7H,1,4H2
InChIKeyDJWWPRGLKBWVNN-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.61
Rot. Bonds3

About N-prop-2-enylpyrazol-1-amine

N-prop-2-enylpyrazol-1-amine (PubChem CID 67092018) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is N-prop-2-enylpyrazol-1-amine.

Molecular Properties

Compound NameN-prop-2-enylpyrazol-1-amine
PubChem CID67092018
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC NameN-prop-2-enylpyrazol-1-amine
SMILESC=CCNn1cccn1
InChIInChI=1S/C6H9N3/c1-2-4-7-9-6-3-5-8-9/h2-3,5-7H,1,4H2
InChIKeyDJWWPRGLKBWVNN-UHFFFAOYSA-N
XLogP0.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylpyrazol-1-amine?
The IUPAC name of N-prop-2-enylpyrazol-1-amine (CID 67092018) is N-prop-2-enylpyrazol-1-amine.
What is the SMILES notation for N-prop-2-enylpyrazol-1-amine?
The canonical SMILES for N-prop-2-enylpyrazol-1-amine is C=CCNn1cccn1.
What is the InChIKey of N-prop-2-enylpyrazol-1-amine?
The InChIKey is DJWWPRGLKBWVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-4-7-9-6-3-5-8-9/h2-3,5-7H,1,4H2.
What are the key properties of N-prop-2-enylpyrazol-1-amine?
N-prop-2-enylpyrazol-1-amine has a molecular weight of 123.16 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylpyrazol-1-amine is sourced from PubChem (CID 67092018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).